3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C19H21FN2O3S — CID 42748568

IUPAC3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)NCc2ccco2)CSC1c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-2-5-17(23)22-16(18(24)21-11-15-8-4-9-25-15)12-26-19(22)13-6-3-7-14(20)10-13/h3-4,6-10,16,19H,2,5,11-12H2,1H3,(H,21,24)
InChIKeyVMHQUOYTRBWMMK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.48
Rot. Bonds6

About 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748568) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748568
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)NCc2ccco2)CSC1c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-2-5-17(23)22-16(18(24)21-11-15-8-4-9-25-15)12-26-19(22)13-6-3-7-14(20)10-13/h3-4,6-10,16,19H,2,5,11-12H2,1H3,(H,21,24)
InChIKeyVMHQUOYTRBWMMK-UHFFFAOYSA-N
XLogP3.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748586
3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4272660
(2R,4R)-3-butanoyl-2-(3-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 6961863
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748553
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807
3-acetyl-2-(3-fluorophenyl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 4542958
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814845
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42748568) is 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1C(C(=O)NCc2ccco2)CSC1c1cccc(F)c1.
What is the InChIKey of 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VMHQUOYTRBWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-5-17(23)22-16(18(24)21-11-15-8-4-9-25-15)12-26-19(22)13-6-3-7-14(20)10-13/h3-4,6-10,16,19H,2,5,11-12H2,1H3,(H,21,24).
What are the key properties of 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).